Thermodynamically and kinetically stable isomers of the C88 and C90 fullerenes

Journal of Molecular Structure: THEOCHEM

Volumn 726, Issue 1-3, 2005, Pages 11-16

  Watanabe, Mitsutoshi ^a   Ishimaru, Daisuke ^a   Mizorogi, Naomi ^a   Kiuchi, Masaki ^a   Aihara, Jun Ichi ^a  

^a SHIZUOKA UNIVERSITY   (Japan)

Author keywords

C88; C90; Kinetic stability; Localization energy; PM3

Indexed keywords

EID: 22744444574     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.03.042     Document Type: Article

References (36)

1. D.E. Manolopoulos, J.C. May, and S.E. Down Chem. Phys. Lett. 181 1991 105
2. X. Liu, T.G. Schmalz, and D.J. Klein Chem. Phys. Lett. 188 1992 550
3. J. Aihara Bull. Chem. Soc. Jpn. 72 1999 7
4. J. Aihara Theor. Chem. Acc. 102 1999 134
5. J. Aihara Phys. Chem. Chem. Phys. 2 2000 3121
6. V.I. Minkin Pure Appl. Chem. 71 1999 1919
7. W. Krätschmer, L.D. Lamb, K. Fostiropoulos, and D.R. Huffman Nature 347 1990 354
8. P. Fowler Nature 350 1991 20
9. G. Sun Chem. Phys. Lett. 367 2003 26
10. G. Sun Chem. Phys. 289 2003 371
11. G.W. Wheland J. Am. Chem. Soc. 64 1942 900
12. A. Streitwieser Jr. Molecular Orbital Theory for Organic Chemists 1961 Wiley New York (Chapter 11)
13. D.Z. Wang, and A. Streitwieser Theor. Chem. Acc. 102 1999 78
14. K. Fujine, T. Ishida, and J. Aihara Phys. Chem. Chem. Phys. 3 2001 3917
15. N. Mizorogi, and J. Aihara Phys. Chem. Chem. Phys. 5 2003 3368
16. M. Kiuchi, and J. Aihara J. Mol. Struct. (Theochem) 685 2004 97
17. Y. Achiba, K. Kikuchi, Y. Aihara, T. Wakabayashi, Y. Miyake, and M. Kainosho Science and Technology of Fullerene Materials P. Bernier D.S. Bethune L.Y. Chiang T.W. Ebbesen R.M. Metzger J.W. Mintmire 1995 Materials Research Society Pittsburgh 3 9
18. Y. Achiba Kagaku (in Japanese) 52 5 1997 15
19. Y. Achiba, K. Kikuchi, Y. Aihara, T. Wakabayashi, Y. Miyake, and M. Kainosho W. Andreoni The Chemical Physics of Fullerenes 10 (and 5) Years Later 1996 Kluwer Academic Publishers Dordrecht 139 147
20. Y. Achiba Kagaku to Kogyo (in Japanese) 52 8 1999 951
21. Y. Miyake, T. Minami, K. Kikuchi, M. Kainosho, and Y. Achiba Mol. Cryst. Liq. Cryst. 340 2000 553
22. Y. Miyake, private communication, 2004.
23. J.J.P. Stewart J. Comput. Chem. 10 1989 209
24. J.N. Spencer, R.S. Moog, and R.N. Gillespie J. Chem. Educ. 73 1986 631
25. P.W. Fowler, and A. Ceulemans J. Phys. Chem. 99 1995 508
26. D.D. Wagman, W.H. Evans, V.B. Parker, R.H. Schumm, I. Halow, S.M. Bailey, K.L. Churney, and R.L. Nuttall J. Phys. Chem. Ref. Data, Suppl. 11 2 1982 1
27. M.J.S. Dewar, and W. Thiel J. Am. Chem. Soc. 99 1977 4899
28. Z. Slanina, S.-L. Lee, and L. Adamowicz Int. J. Quantum Chem. 63 1997 529
29. Z. Slanina, X. Zhiao, S.-L. Lee, and E. Osawa Chem. Phys. 219 1997 193
30. P.W. Fowler, and D.E. Manolopoulos An Atlas of Fullerenes 1995 Oxford University Press Oxford
31. J. Aihara J. Am. Chem. Soc. 117 1995 4130
32. J. Aihara Phys. Chem. Chem. Phys. 3 2001 1427
33. Z. Slanina, X. Zhao, S.-L. Lee, and E. Osawa Scripta Mater. 43 2000 733
34. M. Yoshida, and J. Aihara Phys. Chem. Chem. Phys. 1 1999 227
35. K. Kikuchi, N. Nakahara, T. Wakabayashi, M. Honda, H. Matsumiya, T. Moriwaki, S. Suzuki, H. Shiromaru, K. Saito, K. Yamauchi, I. Ikemoto, and Y. Achiba Chem. Phys. Lett. 188 1992 177
36. S. Hino, K. Umishita, K. Iwasaki, T. Miyazaki, K. Kikuchi, and Y. Achiba Phys. Rev. B 53 1996 7496